N-(3-cyclohexylsulfanylpropyl)-2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCCSC4CCCCC4

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C22H28N4O2S/c1-16-14-20(27)24-22-18-10-5-6-11-19(18)25(26(16)22)15-21(28)23-12-7-13-29-17-8-3-2-4-9-17/h5-6,10-11,14,17H,2-4,7-9,12-13,15H2,1H3,(H,23,28)